N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide

C21H26N4O4 — CID 48503063

IUPACN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O4/c1-14(2)24-21(28)25-17-8-6-16(7-9-17)20(27)23-13-19(26)22-12-15-4-10-18(29-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyFQEDPTPMSMOHFZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.27
Rot. Bonds8

About N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 48503063) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID48503063
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O4/c1-14(2)24-21(28)25-17-8-6-16(7-9-17)20(27)23-13-19(26)22-12-15-4-10-18(29-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyFQEDPTPMSMOHFZ-UHFFFAOYSA-N
XLogP2.27
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46465059
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
4-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54837767
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55693837
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 48502755
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
4-(propan-2-ylcarbamoylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55822287
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide
CID 55840868
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide (CID 48503063) is N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide is COc1ccc(CNC(=O)CNC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is FQEDPTPMSMOHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-14(2)24-21(28)25-17-8-6-16(7-9-17)20(27)23-13-19(26)22-12-15-4-10-18(29-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,27)(H2,24,25,28).
What are the key properties of N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide?
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 398.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 48503063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).